data_AVS_bmrb_pdb_report_17497 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17497 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 33 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17497 1 1 1 1 38 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17497 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 33 LEU C 174.475 . 176.97 2.09 2.3256e-01 17497 1 1 1 1 33 LEU CB 45.583 . 42.37 1.86 8.4092e-02 17497 1 1 1 1 33 LEU H 7.223 . 8.22 0.65 1.2507e-01 17497 1 1 1 1 33 LEU HA 4.123 . 4.32 0.47 6.7511e-01 17497 1 1 1 1 33 LEU HB2 3.993 A 1.63 0.34 3.6529e-12 17497 1 1 1 1 33 LEU HB3 3.890 A 1.57 0.36 1.1602e-10 17497 1 1 1 1 33 LEU N 112.757 . 121.98 4.07 2.3446e-02 17497 1 1 1 1 38 ARG C 177.463 . 176.49 2.16 6.5238e-01 17497 1 1 1 1 38 ARG CA 44.245 A 56.95 2.41 1.3510e-07 17497 1 1 1 1 38 ARG CG 26.072 . 27.31 1.65 4.5307e-01 17497 1 1 1 1 38 ARG H 8.975 . 8.24 0.6 2.2058e-01 17497 1 1 1 1 38 ARG HA 5.444 . 4.27 0.44 7.6263e-03 17497 1 1 1 1 38 ARG HB2 2.578 . 1.79 0.28 4.8886e-03 17497 1 1 1 1 38 ARG HG2 2.139 . 1.58 0.27 3.8418e-02 17497 1 1 1 1 38 ARG N 119.791 . 120.61 3.9 8.3367e-01 17497 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 33 LEU GLY 0.8 17497 1 1 1 1 33 LEU CYS 0.08 17497 1 1 1 1 33 LEU LEU 0.07 17497 1 1 1 1 33 LEU ARG 0.02 17497 1 1 1 1 38 ARG LEU 0.51 17497 1 1 1 1 38 ARG GLY 0.44 17497 1 1 1 1 38 ARG LYS 0.02 17497 1 1 1 1 38 ARG ILE 0.01 17497 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17497 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 17497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17497 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17497 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17497 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_